butanoic acid; cyclopenta-1,3-diene; methylidenetitanium

Systemtic Name: butanoic acid; cyclopenta-1,3-diene; methylidenetitanium Openeye Name: butyric acid; cyclopenta-1,3-diene; methylenetitanium CAS Name: butanoic acid; cyclopenta-1,3-diene; methylenetitanium IUPAC Name: butanoic acid; cyclopenta-1,3-diene; methylidenetitanium Traditional Name: butyric acid; cyclopenta-1,3-diene; methylenetitanium Formula: C19H28O4Ti-2 MolecularWeight: 368.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CCCC(=O)O.C=[Ti].C1C=CC=[C-]1.C1C=CC=[C-]1

Isomeric SMILES

CCCC(=O)O.CCCC(=O)O.C=[Ti].C1C=CC=[C-]1.C1C=CC=[C-]1

InChI

InChI=1S/2C5H5.2C4H8O2.CH2.Ti/c2*1-2-4-5-3-1;2*1-2-3-4(5)6;;/h2*1-3H,4H2;2*2-3H2,1H3,(H,5,6);1H2;/q2*-1;;;;